SCHEMBL10064727

SCHEMBL10064727

N=C(N)NCCOc1ccc(CNC(=O)CCCCCCC(=O)NCc2ccc(OCCNC(=N)N)c(-c3cccc(OCCNC(=N)N)c3OCCNC(=N)N)c2)cc1-c1cccc(OCCNC(=N)N)c1OCCNC(=N)N

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 5/20 0.44
▸ CNR1 P21554 1/20 0.44
▸ CNR2 P34972 1/20 0.44
▸ TRPV1 Q8NER1 4/20 0.43
▸ F2 P00734 2/20 0.43
▸ MAPT P10636 1/20 0.40
▸ BRD4 O60885 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13191324 0.91 F2 (0.40) EPHX2CNR1CNR2TRPV1F2
SCHEMBL10064297 0.91 EPHX2 (0.40) EPHX2CNR1CNR2TRPV1F2
SCHEMBL10064310 0.90 F2 (0.40) EPHX2CNR1CNR2TRPV1F2
SCHEMBL10031054 0.88 LMNA (0.39) EPHX2CNR1CNR2TRPV1F2
SCHEMBL10064294 0.84 HTT (0.38) CNR1CNR2BRD4
SCHEMBL10031069 0.84 CNR1 (0.38) EPHX2CNR1CNR2TRPV1F2
SCHEMBL13191345 0.82 F2 (0.37) F2MAPTBRD4HDAC3HDAC1
SCHEMBL13904220 0.82 HPGD (0.36) F2BRD4HDAC1HDAC2
SCHEMBL10064393 0.82 F2 (0.36) F2MAPTBRD4
SCHEMBL10031052 0.81 LMNA (0.39) CNR1CNR2MAPTBRD4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077863-A1 GUANIDINO-SUBSTITUTED BI-AND POLYPHENYLS AS SMALL MOLECULE CARRIERS UCL BUSINESS PLC (GB) 2012-03-29 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120077863-A1 GUANIDINO-SUBSTITUTED BI-AND POLYPHENYLS AS SMALL MOLECULE CARRIERS CFTR, GNB1, GMPS EPHX2 1931/4885CNR1 266/4885CNR2 567/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback